1hvy

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[[Image:1hvy.gif|left|200px]]
[[Image:1hvy.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1hvy |SIZE=350|CAPTION= <scene name='initialview01'>1hvy</scene>, resolution 1.90&Aring;
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The line below this paragraph, containing "STRUCTURE_1hvy", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE'>CME</scene>, <scene name='pdbligand=D16:TOMUDEX'>D16</scene>, <scene name='pdbligand=UMP:2&#39;-DEOXYURIDINE+5&#39;-MONOPHOSPHATE'>UMP</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Thymidylate_synthase Thymidylate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.45 2.1.1.45] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_1hvy| PDB=1hvy | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1hvy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hvy OCA], [http://www.ebi.ac.uk/pdbsum/1hvy PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1hvy RCSB]</span>
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}}
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'''Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation'''
'''Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation'''
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[[Category: Minor, W.]]
[[Category: Minor, W.]]
[[Category: Phan, J.]]
[[Category: Phan, J.]]
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[[Category: raltitrexed]]
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[[Category: Raltitrexed]]
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[[Category: tomudex]]
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[[Category: Tomudex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 19:17:07 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:11:08 2008''
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Revision as of 16:17, 2 May 2008

Image:1hvy.gif


PDB ID 1hvy

Drag the structure with the mouse to rotate
1hvy, resolution 1.90Å ()
Ligands: , ,
Non-Standard Residues:
Activity: Thymidylate synthase, with EC number 2.1.1.45
Resources: FirstGlance, OCA, RCSB, PDBsum
Coordinates: save as pdb, mmCIF, xml



Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation


Overview

Thymidylate synthase (TS) is a major target in the chemotherapy of colorectal cancer and some other neoplasms while raltitrexed (Tomudex, ZD1694) is an antifolate inhibitor of TS approved for clinical use in several European countries. The crystal structure of the complex between recombinant human TS, dUMP, and raltitrexed has been determined at 1.9 A resolution. In contrast to the situation observed in the analogous complex of the rat TS, the enzyme is in the closed conformation and a covalent bond between the catalytic Cys 195 and dUMP is present in both subunits. This mode of ligand binding is similar to that of the analogous complex of the Escherichia coli enzyme. The only major differences observed are a direct hydrogen bond between His 196 and the O4 atom of dUMP and repositioning of the side chain of Tyr 94 by about 2 A. The thiophene ring of the drug is disordered between two parallel positions.

About this Structure

1HVY is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug., Phan J, Koli S, Minor W, Dunlap RB, Berger SH, Lebioda L, Biochemistry. 2001 Feb 20;40(7):1897-902. PMID:11329255 Page seeded by OCA on Fri May 2 19:17:07 2008

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